Basic information
- CAS
10345-79-6- Standard SMILES
CCN(CC)C(=O)c1ccccc1Cl- InChIKey
MZJHBUKIOBJCAW-UHFFFAOYSA-N- Molecular formula
- C11H14ClNO
- Average molar mass
- 211.69 g/mol
- Monoisotopic mass
- 211.07639175
Names & identifiers
- Preferred name
- 2-Chloro-N,N-diethylbenzamide
- IUPAC
- 2-chloro-N,N-diethylbenzamide
- English name
- 2-chloro-N,N-diethylbenzamide
- Molecular formula
- C11H14ClNO
- Molecular weight
- 211.69
Names & synonyms
2-Chloro-N,N-diethylbenzamide10345-79-6Benzamide, 2-chloro-N,N-diethyl-UNII-5T63XHT64O5T63XHT64OEINECS 233-754-6NSC-404296AI3-14147DTXSID40145863Benzamide, o-chloro-N,N-diethyl-N,N-DIETHYL-O-CHLOROBENZAMIDENSC 404296
Show more names
Benzamide,2-chloro-N,N-diethyl-
RefChem:86382DTXCID1068354233-754-6InChI=1/C11H14ClNO/c1-3-13(4-2)11(14)9-7-5-6-8-10(9)12/h5-8H,3-4H2,1-2HMFCD00018262N,N-Diethyl-2-ChlorobenzamideNSC404296o-chloro-N,N-diethylbenzamide
Database identifiers
- CAS
10345-79-6- PubChem CID
- 82566
- DTXSID
DTXSID40145863- UNII
- 5T63XHT64O
- EC Number
- 233-754-6
- Nikkaji
- J10.462K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 192
Experimental & physicochemical properties
LogP2.1
Physicochemical properties
- Melting point
- 39 · 39-40 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 125 · 125-128 °C(Press: 0.4 Torr)
- Density
- 1.115 · 1.115±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- -1.42 · -1.42±0.70(Predicted)
- FDA UNII
- 5 T63XHT64O · 5T63XHT64O
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers9 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Related reactions
60 records
Compound notes
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